6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Name: 6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Brand: ChemScene
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CAS No. 425702-91-6
Cat. No. CS-0038338
Purity≥98%
MDL No.MFCD11110678

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Excepted Quantity	$0.00
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6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one|CS-0038338

Structure of 425702-91-6

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General Information

CAS No. 425702-91-6
Cat. No. CS-0038338
Purity ≥98%
MDL No. MFCD11110678
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄BrN₃O
Molecular Weight 214.02
Synonym(s) 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILES C1=CC2=NN=C(N2C=C1Br)O

Description

6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one is a bench-stable heterocyclic scaffold featuring a bromine substituent at the 6-position and a lactam functionality at C3. This electron-deficient triazolopyridinone core enables direct coupling in transition-metal-catalyzed transformations, facilitating rapid access to diverse bioactive compounds in medicinal chemistry and chemical biology applications.

Application

6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one serves as a versatile heterocyclic building block for medicinal chemistry and catalytic cross-coupling applications. The bromine substituent enables palladium-catalyzed coupling reactions with broad functional group tolerance, while the triazolopyridinone core provides structural rigidity and hydrogen-bonding capacity. Bench-stable and readily purified, it facilitates efficient synthesis of complex scaffolds relevant to kinase inhibitors and other bioactive molecules.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 50.42
LogP 1.1974
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

CAS No. 425702-91-6

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